Mechanical properties and superconductivity in two-dimensional B2O under extreme strain.

ABSTRACT

Because of the particular characteristics of layered materials, searching for new two-dimensional (2D) structures has become the foundation of future device manufacture. Using first-principles calculations and theoretical analysis, we identified a new monolayer B2O and systematically investigated its fundamental mechanical and electronic properties, especially under strain. Due to the complicated puckered hinge structure of monolayer B2O, it possesses an intrinsic negative Poisson's ratio of -0.021. Moreover, we found that the superconducting state of monolayer B2O can be improved, where strain plays an effective role in regulating the properties of the 2D material. The current results elucidate the structure and corresponding properties of monolayer B2O, which may stimulate related fundamental research and potential nanoscale applications.